6-chloranyl-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one

Systemtic Name: 6-chloranyl-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Openeye Name: 6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one CAS Name: 6-chloro-4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]chromen-2-one Traditional Name: 6-chloro-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]coumarin Formula: C20H19Cl2N2O2+ MolecularWeight: 390.28306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)Cl)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=O)OC3=C2C=C(C=C3)Cl)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H18Cl2N2O2/c21-15-2-1-3-17(11-15)24-8-6-23(7-9-24)13-14-10-20(25)26-19-5-4-16(22)12-18(14)19/h1-5,10-12H,6-9,13H2/p+1